2026-05-30_00000359
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ligand
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9ZPE
KRAS G12V Mutant in Complex with GDP and Compound 8.;
X-ray diffraction 1.91Å
Protein #1
171 residues (97% resolved)
Raw Sequence ...
GPMTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Canonical Sequence ...
GPMTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2
A1C3O
InChI=1S/C33H34F4N6O4/c1-32(41-31(45)46-2)7-3-9-42(16-32)29-22-14-38-27(21-12-20(44)11-18-5-6-23(35)25(36)24(18)21)26(37)28(22)39-30(40-29)47-17-33-8-4-10-43(33)15-19(34)13-33/h5-6,11-12,14,19,44H,3-4,7-10,13,15-17H2,1-2H3,(H,41,45)/t19-,32-,33+/m1/s1
InChI=1S/C33H34F4N6O4/c1-32(41-31(45)46-2)7-3-9-42(16-32)29-22-14-38-27(21-12-20(44)11-18-5-6-23(35)25(36)24(18)21)26(37)28(22)39-30(40-29)47-17-33-8-4-10-43(33)15-19(34)13-33/h5-6,11-12,14,19,44H,3-4,7-10,13,15-17H2,1-2H3,(H,41,45)/t19-,32-,33+/m1/s1
SMILES: C[C@]1(CCCN(C1)c2c3cnc(c(c3nc(n2)OC[C@@]45CCCN4C[C@@H](C5)F)F)c6cc(cc7c6c(c(cc7)F)F)O)NC(=O)OC
C[C@]1(CCCN(C1)c2c3cnc(c(c3nc(n2)OC[C@@]45CCCN4C[C@@H](C5)F)F)c6cc(cc7c6c(c(cc7)F)F)O)NC(=O)OC
Non polymer #3
GDP
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
SMILES: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
Non polymer #4
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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